T32808
Thiophenol
97%
Synonym(s):
Benzenethiol, Phenyl mercaptan
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About This Item
Linear Formula:
C6H5SH
CAS Number:
Molecular Weight:
110.18
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
203-635-3
Beilstein/REAXYS Number:
506523
MDL number:
Assay:
97%
vapor density
3.8 (vs air)
Quality Segment
vapor pressure
1.4 mmHg ( 20 °C)
assay
97%
refractive index
n20/D 1.588 (lit.)
bp
169 °C (lit.)
mp
−15 °C (lit.)
density
1.073 g/mL at 25 °C (lit.)
SMILES string
Sc1ccccc1
InChI
1S/C6H6S/c7-6-4-2-1-3-5-6/h1-5,7H
InChI key
RMVRSNDYEFQCLF-UHFFFAOYSA-N
General description
Thiophenol is an organosulfur compound used as an intermediate to produce polymers.
Application
Thiophenol can undergo:
- Asymmetric Michael addition to diisopropyl maleate in the presence of a catalytic amount of cinchonine to form (s)-(−)-diisopropyl phenylthiosuccinate, which can be further converted to (R)-(+)-3,4-epoxy-1-butanol.
- Regioselective and stereoselective 1,4-addition to alkenylidenecyclopropanes leading to endo- or cis-vinyl sulfide adducts, a key step in the synthesis of karahanaenone.
- Diastereoselective addition to (S)-N-(α,β-unsaturated carbonyl)-γ-[(trityloxy)methyl]-γ-butyrolactams to form the corresponding β-(phenylthio)carboxylates.
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signalword
Danger
Hazard Classifications
Acute Tox. 1 Inhalation - Acute Tox. 2 Dermal - Acute Tox. 2 Oral - Aquatic Acute 1 - Aquatic Chronic 1 - Eye Dam. 1 - Flam. Liq. 3 - Repr. 2 - Skin Irrit. 2
Storage Class
3 - Flammable liquids
wgk
WGK 3
flash_point_f
122.0 °F - closed cup
flash_point_c
50 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
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